N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine

C6H5BrF3NOS — CID 130146065

IUPACN-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine
SMILESONC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H5BrF3NOS/c7-4-2-1-3(13-4)5(11-12)6(8,9)10/h1-2,5,11-12H
InChIKeyHAZSWAZFJZDXBC-UHFFFAOYSA-N
MW276.08 g/mol
LogP3.09
Rot. Bonds2

About N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine

N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine (PubChem CID 130146065) has the molecular formula C6H5BrF3NOS and a molecular weight of 276.08 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine
PubChem CID130146065
Molecular FormulaC6H5BrF3NOS
Molecular Weight276.08 g/mol
Exact Mass274.92
IUPAC NameN-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine
SMILESONC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H5BrF3NOS/c7-4-2-1-3(13-4)5(11-12)6(8,9)10/h1-2,5,11-12H
InChIKeyHAZSWAZFJZDXBC-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine (CID 130146065) is N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine is ONC(c1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine?
The InChIKey is HAZSWAZFJZDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NOS/c7-4-2-1-3(13-4)5(11-12)6(8,9)10/h1-2,5,11-12H.
What are the key properties of N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine?
N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine has a molecular weight of 276.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydroxylamine is sourced from PubChem (CID 130146065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).